Chemical ID: 6637751

c1[nH]c2c(n1)c(=O)[nH]c(=N)[nH]2
Chemical ID:
6637751
Name [?]:
2-imino-3,9-dihydropurin-6-one
SMILES [?]:
c1[nH]c2c(n1)c(=O)[nH]c(=N)[nH]2
InChi [?]:
InChI=1/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,3,6,9,10,5,2,11,8,7/rA:11nCNCCNCONCNN/rB:s1;s2;d3;d1s4;s4;d6;s6;s8;w9;s3s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.75979
Area:288.369
Solvation:-2.44945
Coulombic:-59.6893
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:151.126
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.28
LogP (Chemaxon):-0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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